{ "counts": { "above_hull": 0, "entries": 5, "intervals": 4, "vertices": 5 }, "elements": [ "FE", "SI" ], "flags": [ "has_intermediate_phases", "redundant_phase_descriptions", "solution_phases" ], "isotherms": [ { "element_reference": { "FE": { "energy": -8133.457667371111, "phase": "B2_BCC" }, "SI": { "energy": -5608.211720959562, "phase": "DIAMOND_A4" } }, "intervals": [ { "enthalpy": { "entropy_form": null, "hermite": [ [ 0.0, -3198.5907849267014, 74.57280002320886, 3.1675556425366267 ], [ -3120.850429260956, -1823.961016084081, 75.33413775626309, -73.33195428467229 ], [ -4942.809261873446, -3033.849408614909, 76.5196850360444, 1.7934767213100713 ], [ -7898.345508730999, -1725.2581748695923, 29.969346852423087, 0.25642221633893314 ], [ -9593.377914531831, -1664.551352768606, 31.36037498260157, 0.2618935228256305 ], [ -11226.306998795004, -2668.409398230439, 90.7040354866599, 1.856208070001685 ], [ -13802.15615346879, -2481.4306649305886, 97.34201218823227, 1.7859520386932672 ], [ -16184.45885417245, -1368.8303315800583, 37.431969996857106, 0.23676868100051252 ], [ -17515.62044707465, -2155.4208609699685, 107.21305063127897, 1.487454895755718 ], [ -19562.34080251758, -1161.9154603471213, 40.56289037409988, 0.18525300387591415 ], [ -20683.50811948673, -1800.3821637452525, 115.20083330639363, 1.0993930133840877 ], [ -22367.590056912206, -940.0049953762053, 42.907909171037545, 0.12808661771828156 ], [ -23264.559056499664, -1423.0009863586308, 120.93148474889949, 0.6921716877413928 ], [ -24565.936386421647, -707.4325294238336, 44.419391916634936, 0.06970400133343446 ], [ -25228.87981992751, -824.506978754966, 79.57360867529314, 0.1415592694775114 ], [ -25973.67163073771, -664.9299465085687, 80.09432162129491, 0.0482388332926007 ] ], "knots": [ 0.0, 0.02365318125513784, 0.037845089408220546, 0.06149826966335839, 0.07569017781644109, 0.0898820859695238, 0.11353526622466165, 0.13718844647979947, 0.15138035463288219, 0.17503353488802004, 0.18922544304110273, 0.21287862329624058, 0.2270705314493233, 0.25072371170446117, 0.26491561985754386, 0.28383816406165413, 0.30276070486160683 ], "max_abs_error": 2.172798645472085 }, "entropy": { "entropy_form": { "R": 8.31446261815324, "kind": "ideal_mixing_entropy" }, "hermite": [ [ 0.0, -0.393083536386723, 0.009897157962593717, 2.343130271920124e-06 ], [ -0.3831840352938575, -0.4977095742745604, 0.0176167709113636, 8.359933720281099e-06 ], [ -0.8632684787233338, -0.8896311390692905, 0.34628526683037686, -0.13554740171901614 ], [ -1.5421617526812639, -0.754796293350202, 0.05437062177615626, -0.00501229814803128 ], [ -2.2475997224033413, -0.5289313046827244, 0.024071495600252513, -0.001180359626808014 ], [ -2.7536398911126203, -0.48436387745809417, 0.019712005701997326, -0.0006231447996949968 ], [ -3.218914907668412, -0.44682855292948626, 0.01743093889570535, -0.0003109230852668121 ], [ -3.6486234447874595, -0.4129090315100795, 0.016298384056865733, -0.00015426307777349768 ], [ -4.0453883553184475, -0.4759741202793919, 0.02458804154840427, -0.00017458932590747045 ], [ -4.496949023375341, -0.25639437820704714, 0.008633955662307985, -1.792912733114549e-05 ], [ -4.744727375047414, -0.23918240061938628, 0.008546008158696106, -1.829062375535706e-05 ], [ -4.975382058131859, -0.22214474098388298, 0.008456306035570627, -1.6005342750424756e-05 ], [ -5.189086498422922, -0.27370653154037644, 0.014887725193294399, -5.577502797637912e-05 ], [ -5.44796107979798, -0.1830733961119895, 0.008240416180271687, -1.9789428211985927e-05 ], [ -5.62281384915791, -0.22220185858643368, 0.014467604174514093, -7.361577939890562e-05 ], [ -5.830621719349226, -0.1451149037124228, 0.00795964301279009, -2.716564591490056e-05 ], [ -5.9678041456947755, -0.17236848197137009, 0.013900068183501396, -0.00010434191520078406 ] ], "knots": [ 0.0, 0.014191909153082705, 0.03311445335719298, 0.05203699756130325, 0.07569017781644109, 0.09461272202055136, 0.11353526622466165, 0.13245781042877192, 0.15138035463288219, 0.17503353488802004, 0.18922544304110273, 0.20341735119418544, 0.21760925934726813, 0.23653180355137843, 0.25072371170446117, 0.26964625590857144, 0.28383816406165413, 0.30276070486160683 ], "max_abs_error": 0.008203358227696356 }, "entropy_form": { "RT": 2478.957029602388, "kind": "ideal_mixing" }, "hermite": [ [ 0.0, -3003.2610298091936, 66.3771173131563, 3.1624344787628615 ], [ -2933.7214780172744, -1716.6071926706397, 32.8237346592141, -7.411294661041211 ], [ -4624.9162306897415, -4456.266932929394, 140.94765699696745, 16.979449324890993 ], [ -8923.256057297278, -4123.401870400617, 193.12183046577275, 11.099423484667113 ], [ -12842.43667374745, -3703.845197777068, 228.16342088634974, 8.630541701711081 ], [ -16309.487908936457, -3221.6146832138948, 255.54967613046892, 6.685263403544468 ], [ -19268.867652616344, -2690.4455080067573, 276.74352625029405, 4.831920151501436 ], [ -21677.737714221304, -2122.451428506144, 292.0132360001703, 3.00772049687248 ], [ -23505.1681862304, -1529.390466918684, 301.4467564109083, 1.2321530982434297 ] ], "kind": "single_phase", "knots": [ 0.0, 0.02365318125513784, 0.037845089408220546, 0.07569017781644109, 0.11353526622466165, 0.15138035463288219, 0.18922544304110273, 0.2270705314493233, 0.26491561985754386, 0.30276070486160683 ], "max_abs_error": 0.21959391588279686, "phase": "B2_BCC", "x_hi": 0.30276070486160683, "x_lo": 0.0 }, { "enthalpy": { "intercept": -20772.296935285867, "slope": -19111.33772842388 }, "entropy": { "intercept": -8.481340071158604, "slope": 24.617691549681847 }, "intercept": -18243.585393069927, "kind": "two_phase", "left": { "phase": "B2_BCC", "x": 0.30276070486160683 }, "mu_a_rel": -18243.585393069927, "mu_b_rel": -44694.68785703146, "right": { "phase": "MSI_B20", "x": 0.5 }, "slope": -26451.102463961528, "x_hi": 0.5, "x_lo": 0.30276070486160683 }, { "enthalpy": { "intercept": -52494.578185226026, "slope": 44333.22477145644 }, "entropy": { "intercept": 13.104702447474008, "slope": -18.554393487583376 }, "intercept": -56401.74521994038, "kind": "two_phase", "left": { "phase": "MSI_B20", "x": 0.5 }, "mu_a_rel": -56401.74521994038, "mu_b_rel": -6536.528030161004, "right": { "phase": "FESI2_L", "x": 0.666667 }, "slope": 49865.217189779374, "x_hi": 0.666667, "x_lo": 0.5 }, { "enthalpy": { "intercept": -68817.30949684994, "slope": 68817.30949684994 }, "entropy": { "intercept": 2.2053040181658017, "slope": -2.2053040181658017 }, "intercept": -69474.82088986608, "kind": "two_phase", "left": { "phase": "FESI2_L", "x": 0.666667 }, "mu_a_rel": -69474.82088986608, "mu_b_rel": 0.0, "right": { "phase": "DIAMOND_A4", "x": 1.0 }, "slope": 69474.82088986608, "x_hi": 1.0, "x_lo": 0.666667 } ], "temperature_K": 298.15, "vertices": [ { "collinear": false, "degenerate": [], "energy": 0.0, "energy_per_atom": 0.0, "enthalpy": 0.0, "entries_at_x": 1, "entropy": 0.0, "formula": "", "nsites": null, "phase": "B2_BCC", "phase_kind": "solution", "spacegroup_number": null, "spacegroup_symbol": "", "theoretical": false, "x": 0.0 }, { "collinear": false, "degenerate": [], "energy": -26251.939819425505, "energy_per_atom": -26251.939819425505, "enthalpy": -26558.4590167917, "entries_at_x": 1, "entropy": -1.0280704255113058, "formula": "", "nsites": null, "phase": "B2_BCC", "phase_kind": "solution", "spacegroup_number": null, "spacegroup_symbol": "", "theoretical": false, "x": 0.30276070486160683 }, { "collinear": false, "degenerate": [], "energy": -31469.13662505069, "energy_per_atom": -31469.13662505069, "enthalpy": -30327.965799497808, "entries_at_x": 1, "entropy": 3.82750570368232, "formula": "", "nsites": null, "phase": "MSI_B20", "phase_kind": "solution", "spacegroup_number": null, "spacegroup_symbol": "", "theoretical": false, "x": 0.5 }, { "collinear": false, "degenerate": [], "energy": -23158.25047168173, "energy_per_atom": -23158.25047168173, "enthalpy": -22939.080226513477, "entries_at_x": 1, "entropy": 0.7351006042872612, "formula": "", "nsites": null, "phase": "FESI2_L", "phase_kind": "solution", "spacegroup_number": null, "spacegroup_symbol": "", "theoretical": false, "x": 0.666667 }, { "collinear": false, "degenerate": [], "energy": 0.0, "energy_per_atom": 0.0, "enthalpy": 0.0, "entries_at_x": 1, "entropy": 0.0, "formula": "", "nsites": null, "phase": "DIAMOND_A4", "phase_kind": "solution", "spacegroup_number": null, "spacegroup_symbol": "", "theoretical": false, "x": 1.0 } ] } ], "mp_agreement": { "comparable": false, "comparable_note": "CALPHAD isotherms have no upstream stability flag to compare against", "max_abs_delta_energy_above_hull": 0.0, "only_mp_stable": [], "only_ours_stable": [], "stable_sets_match": true }, "provenance": { "assessment": "FeSi-14Yua", "builder_version": 1, "engine": { "numpy": "2.5.1", "pycalphad": "0.11.2", "python": "3.13.15" }, "fit_tol": 1.0, "observed_at": "2026-09-03T00:37:19Z", "phase_families": { "BCC_A2": "A2_BCC" }, "sample_conditions": { "endpoint_tol": 1.0, "fit_samples": 65, "order_tol": 0.0001, "pressure_Pa": 101325.0, "redundant_tol": 1.0, "refine_tol": 1e-07, "step": 0.002, "temperature_K": 298.15 }, "source_path": "databases/sgte-binary/FeSi-14Yua.tdb", "source_sha256": "b45ac7c1e94df43853b00f85aca124c47a7473ee1e3cfae89ca2cf76d1094d3b" }, "reference": { "kind": "calphad_formation_T", "per": "mole_atoms", "temperature_K": 298.15, "units": "J/mol-atoms" }, "schema_version": 1, "system_id": "FE-SI", "x_element": "SI" }